Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 6/20 | 0.45 |
| ▸ | XPO1 | O14980 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 7/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19822530 | 1.00 | NAAA (0.45) | NAAAXPO1MIFTRPA1CYP2E1 | |
| SCHEMBL19822504 | 0.88 | XPO1 (0.52) | NAAAXPO1MIFTRPA1CYP2E1 | |
| SCHEMBL21048436 | 0.88 | XPO1 (0.52) | NAAAXPO1MIFTRPA1CYP2E1 | |
| SCHEMBL21048405 | 0.85 | XPO1 (0.48) | NAAAXPO1MIFTRPA1CYP2E1 | |
| SCHEMBL19822524 | 0.85 | XPO1 (0.48) | NAAAXPO1MIFTRPA1CYP2E1 | |
| SCHEMBL21048395 | 0.81 | XPO1 (0.43) | NAAAXPO1MIFTRPA1CYP2E1 | |
| SCHEMBL19822509 | 0.81 | XPO1 (0.43) | NAAAXPO1MIFTRPA1CYP2E1 | |
| SCHEMBL19822516 | 0.80 | XPO1 (0.40) | XPO1MIFTRPA1CYP2E1CYP2A6 | |
| SCHEMBL21048404 | 0.80 | XPO1 (0.40) | XPO1MIFTRPA1CYP2E1CYP2A6 | |
| SCHEMBL21048402 | 0.80 | XPO1 (0.42) | NAAAXPO1MIFTRPA1CYP2E1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10315990-B2 | Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof | DRIVINGFORCE THERAPEUTICS (CN) | 2019-06-11 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10315990-B2 | Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof | XPO1, XPOT, XPO4 | NAAA 4235/4885XPO1 1/4885MIF 915/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.